8-[(4-chlorophenyl)methoxy]-3,7-dimethyl-1-(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methoxy]-3,7-dimethyl-1-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methoxy]-3,7-dimethyl-1-(3-pyridylmethyl)purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methoxy]-3,7-dimethyl-1-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methoxy]-3,7-dimethyl-1-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 8-(4-chlorobenzyl)oxy-3,7-dimethyl-1-(3-pyridylmethyl)xanthine Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CN=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CN=CC=C4)C

InChI

InChI=1S/C20H18ClN5O3/c1-24-16-17(23-19(24)29-12-13-5-7-15(21)8-6-13)25(2)20(28)26(18(16)27)11-14-4-3-9-22-10-14/h3-10H,11-12H2,1-2H3